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1,5-Cyclohexadiene-1-propanoic acid, 3,3-bis(acetyloxy)-.alpha.-hydroxy-4-oxo-, methyl ester, (.+-.)-
SpectraBase Compound ID EWBEDdQPQHp
InChI InChI=1S/C14H16O8/c1-8(15)21-14(22-9(2)16)7-10(4-5-12(14)18)6-11(17)13(19)20-3/h4-5,7,11,17H,6H2,1-3H3
InChIKey PTAQZUASHOLFLM-UHFFFAOYSA-N
Mol Weight 312.27 g/mol
Molecular Formula C14H16O8
Exact Mass 312.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jsbfqv0Ms9
Name 1,5-Cyclohexadiene-1-propanoic acid, 3,3-bis(acetyloxy)-.alpha.-hydroxy-4-oxo-, methyl ester, (.+-.)-
CAS Registry Number 77495-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O8
InChI InChI=1S/C14H16O8/c1-8(15)21-14(22-9(2)16)7-10(4-5-12(14)18)6-11(17)13(19)20-3/h4-5,7,11,17H,6H2,1-3H3
InChIKey PTAQZUASHOLFLM-UHFFFAOYSA-N
Molecular Weight 312.274 g/mol
SMILES OC(C(=O)OC)CC1=CC(OC(=O)C)(OC(=O)C)C(C=C1)=O
SPLASH splash10-00g3-3920000000-fd2f65e47904d037b527
Source of Spectrum W5-0-0-0
Synonyms 1,5-Cyclohexadiene-1-propanoic acid, 3,3-bis(acetyloxy)-.alpha.-hydroxy-4-oxo-, methyl ester, (.+/-.)- Methyl 3-[3,3-bis(acetyloxy)-4-oxo-1,5-cyclohexadien-1-yl]-2-hydroxypropanoate
Wiley ID 1312942